CHEBI:179007 - PA(20:1(11Z)/17:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PA(20:1(11Z)/17:0)
ChEBI ID CHEBI:179007
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000058638841
Download Molfile XML SDF
Formula C40H77O8P
Net Charge 0
Average Mass 717.022
Monoisotopic Mass 716.53561
InChI InChI=1S/C40H77O8P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-39(41)46-36-38(37-47-49(43,44)45)48-40(42)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h17,19,38H,3-16,18,20-37H2,1-2H3,(H2,43,44,45)/b19-17-/t38-/m1/s1
InChIKey QXWDOFVFOLDPAM-NPBIGWJUSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PA(20:1(11Z)/17:0) (CHEBI:179007) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-heptadecanoyloxy-3-phosphonooxypropyl] (Z)-icos-11-enoate
Manual Xref Database
LMGP10010534 LIPID MAPS
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